2-[2,5-bis(3-azanylpropylamino)pentanoylamino]ethyl-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-dimethyl-azanium

Systemtic Name: 2-[2,5-bis(3-azanylpropylamino)pentanoylamino]ethyl-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-dimethyl-azanium Openeye Name: 2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethyl-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-dimethyl-ammonium CAS Name: 2-[[2,5-bis(3-aminopropylamino)-1-oxopentyl]amino]ethyl-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl]-dimethylammonium IUPAC Name: 2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethyl-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-dimethylazanium Traditional Name: 2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethyl-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl]-dimethyl-ammonium Formula: C54H107N6O5+ MolecularWeight: 920.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)CCNC(=O)C(CCCNCCCN)NCCCN)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C[N+](C)(C)CCNC(=O)C(CCCNCCCN)NCCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C54H106N6O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-52(61)64-49-50(65-53(62)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)48-60(3,4)47-46-59-54(63)51(58-45-37-42-56)38-35-43-57-44-36-41-55/h19-22,50-51,57-58H,5-18,23-49,55-56H2,1-4H3/p+1/b21-19+,22-20+